2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile

C14H14FN3O — CID 133357352

IUPAC2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H14FN3O/c15-12-2-1-3-13(11(12)7-16)17-9-6-14(19)18(8-9)10-4-5-10/h1-3,9-10,17H,4-6,8H2
InChIKeyXSDCDLUOGPWEMJ-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.87
Rot. Bonds3

About 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile

2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile (PubChem CID 133357352) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile
PubChem CID133357352
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H14FN3O/c15-12-2-1-3-13(11(12)7-16)17-9-6-14(19)18(8-9)10-4-5-10/h1-3,9-10,17H,4-6,8H2
InChIKeyXSDCDLUOGPWEMJ-UHFFFAOYSA-N
XLogP1.87
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 133357287
2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile
CID 129413694
2-fluoro-6-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 62733839
4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-3-(trifluoromethyl)benzonitrile
CID 133357479
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2,6-difluorobenzenesulfonamide
CID 95985258
2-[(1-ethylpiperidin-3-yl)amino]-6-fluorobenzonitrile
CID 78915990
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
2-[(3,3-dimethylcyclopentyl)amino]-6-fluorobenzonitrile
CID 80693483
2-fluoro-6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]benzonitrile
CID 94032537
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 43636859
2-fluoro-6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]benzonitrile
CID 133311635
2-fluoro-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133311142

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile (CID 133357352) is 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile?
The InChIKey is XSDCDLUOGPWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-2-1-3-13(11(12)7-16)17-9-6-14(19)18(8-9)10-4-5-10/h1-3,9-10,17H,4-6,8H2.
What are the key properties of 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile?
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile has a molecular weight of 259.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 133357352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).